Structure Database (LMSD)
Common Name
Methyl nonanoate
Systematic Name
methyl nonanoate
Synonyms
3D model of Methyl nonanoate
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
String Representations
InChiKey (Click to copy)
IJXHLVMUNBOGRR-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C10H20O2/c1-3-4-5-6-7-8-9-10(11)12-2/h3-9H2,1-2H3
SMILES (Click to copy)
CCCCCCCCC(OC)=O
References
Calculated Physicochemical Properties
Heavy Atoms
12
Rings
0
Aromatic Rings
0
Rotatable Bonds
8
Van der Waals Molecular Volume
196.50
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
2.91
Molar Refractivity
50.01
Admin
Created at
-
Updated at
6th Jun 2022